Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.52 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7870402 | 0.77 | REN (0.42) | RENCYP3A4KCNH2HTR2A | |
| SCHEMBL7862960 | 0.71 | KCNH2 (0.42) | RENKCNH2HTR2AALDH1A1HSD17B10 | |
| SCHEMBL21098177 | 0.63 | GPBAR1 (0.54) | CYP3A4HTR7GPBAR1KMT2AALDH1A1 | |
| SCHEMBL24599070 | 0.63 | NR1H4 (0.47) | HTR7GPBAR1GABRA1GABRG2GABRB3 | |
| SCHEMBL24598908 | 0.63 | GPBAR1 (0.51) | HTR7GPBAR1KMT2AALDH1A1LMNA | |
| SCHEMBL30605725 | 0.63 | GPBAR1 (0.51) | HTR7GPBAR1KMT2AALDH1A1LMNA | |
| SCHEMBL24598909 | 0.63 | GPBAR1 (0.48) | HTR7GPBAR1KMT2AALDH1A1LMNA | |
| SCHEMBL29692090 | 0.63 | GPBAR1 (0.48) | HTR7GPBAR1KMT2AALDH1A1LMNA | |
| SCHEMBL10964453 | 0.62 | SLC18A3 (0.54) | HTR2AMAPT | |
| SCHEMBL8273744 | 0.62 | SLC18A3 (0.54) | HTR2AMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |